6DWM

Structure of Human Cytochrome P450 1A1 with Bergamottin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Cytochrome P450 1A1	polymer	491	55944.2	4	UniProt (P04798) Pfam (PF00067)	Homo sapiens (Human)	CYPIA1,Cytochrome P450 form 6,Cytochrome P450-C,Cytochrome P450-P1
2	E, H, K, M (A, B, C, D)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	F, I, L, N (A, B, C, D)	4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one	non-polymer		338.4	4	Chemie (HJJ)
4	G, O (A, D)	3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE	non-polymer		614.9	2	Chemie (CPS)
5	J, P (B, D)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
6	Q, R (A, B)	water	water		18.0	46	Chemie (HOH)

Sequence modifications

A, B, C, D: 35 - 512 (UniProt: P04798)

PDB	External Database	Details
Met 28	-	expression tag
Ala 29	-	expression tag
Lys 30	-	expression tag
Lys 31	-	expression tag
Thr 32	-	expression tag
Ser 33	-	expression tag
Ser 34	-	expression tag
His 513	-	expression tag
His 514	-	expression tag
His 515	-	expression tag
His 516	-	expression tag
His 517	-	expression tag
His 518	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	223776.6
Non-Polymers*	Number of molecules	12
	Total formula weight	5233.5
All*	Total formula weight	229010.1

*Water molecules are not included.